70456124
  -OEChem-05042402012D

 41 43  0     0  0  0  0  0  0999 V2000
    2.8660    0.8170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.3170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.1830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8600   -2.6830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    3.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    1.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764   -1.8783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764   -3.4878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.6270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    3.8539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    3.6270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    2.7800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030    3.3730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6760    4.2200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8291    3.9930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8291    2.2610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0560    1.4140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030    1.6410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -0.4930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.4930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.9370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -1.8730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.3030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4690   -1.2890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -3.4930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4690   -4.0771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2  5  1  0  0  0  0
  2  9  1  0  0  0  0
  2 23  1  0  0  0  0
  3 13  1  0  0  0  0
  3 19  1  0  0  0  0
  3 22  1  0  0  0  0
  4 20  1  0  0  0  0
  4 22  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 17  2  0  0  0  0
 11 14  1  0  0  0  0
 11 16  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 20  2  0  0  0  0
 14 33  1  0  0  0  0
 15 18  2  0  0  0  0
 15 34  1  0  0  0  0
 16 18  1  0  0  0  0
 16 35  1  0  0  0  0
 17 21  1  0  0  0  0
 17 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 21  2  0  0  0  0
 19 38  1  0  0  0  0
 20 39  1  0  0  0  0
 21 40  1  0  0  0  0
 22 41  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70456124

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
404

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAAAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAFgB8AAAHgAQAAAADIjBngQ/0LfMGACoAzV3dACCgC01EqAJ2CE4dNiIaPLAnZGUIQholALIyacYiMCOgAACAAAAAAAAAAQAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-tert-butyl-3-imidazo[1,5-a]pyridin-8-yl-benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-tert-butyl-3-(8-imidazo[1,5-a]pyridinyl)benzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-<I>tert</I>-butyl-3-imidazo[1,5-a]pyridin-8-ylbenzamide

> <PUBCHEM_IUPAC_NAME>
N-tert-butyl-3-imidazo[1,5-a]pyridin-8-ylbenzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-tert-butyl-3-imidazo[1,5-a]pyridin-8-yl-benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-tert-butyl-3-imidazo[1,5-a]pyridin-8-yl-benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H19N3O/c1-18(2,3)20-17(22)14-7-4-6-13(10-14)15-8-5-9-21-12-19-11-16(15)21/h4-12H,1-3H3,(H,20,22)

> <PUBCHEM_IUPAC_INCHIKEY>
VPCRHNJNWNIKBX-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.7

> <PUBCHEM_EXACT_MASS>
293.152812238

> <PUBCHEM_MOLECULAR_FORMULA>
C18H19N3O

> <PUBCHEM_MOLECULAR_WEIGHT>
293.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)(C)NC(=O)C1=CC=CC(=C1)C2=CC=CN3C2=CN=C3

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)(C)NC(=O)C1=CC=CC(=C1)C2=CC=CN3C2=CN=C3

> <PUBCHEM_CACTVS_TPSA>
46.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
293.152812238

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  13  8
10  17  8
11  14  8
11  16  8
12  14  8
12  15  8
13  20  8
15  18  8
16  18  8
17  21  8
19  21  8
3  13  8
3  19  8
3  22  8
4  20  8
4  22  8

$$$$